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	hartrees
Energy at 0K	-155.919967
Energy at 298.15K	-155.925591
Nuclear repulsion energy	108.587067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	3029	17.12
2	A₁	3020	3008	18.86
3	A₁	1765	1758	6.72
4	A₁	1444	1438	0.08
5	A₁	1408	1403	0.38
6	A₁	1022	1018	3.84
7	A₁	995	991	4.12
8	A₁	708	705	4.12
9	A₂	3086	3074	0.00
10	A₂	1130	1125	0.00
11	A₂	933	929	0.00
12	A₂	600	598	0.00
13	B₁	3099	3087	25.22
14	B₁	1063	1059	1.30
15	B₁	876	872	37.10
16	B₁	735	732	1.70
17	B₁	272	271	4.51
18	B₂	3116	3104	18.12
19	B₂	3020	3008	22.48
20	B₂	1413	1408	1.48
21	B₂	1105	1100	6.01
22	B₂	1029	1025	2.05
23	B₂	868	864	14.29
24	B₂	347	346	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.646
C2	0.000	0.000	0.318
H3	0.000	0.932	2.216
H4	0.000	-0.932	2.216
C5	0.000	0.778	-0.937
C6	0.000	-0.778	-0.937
H7	0.917	1.286	-1.245
H8	-0.917	1.286	-1.245
H9	-0.917	-1.286	-1.245
H10	0.917	-1.286	-1.245

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3278	1.0920	1.0920	2.6977	2.6977	3.2942	3.2942	3.2942	3.2942
C2	1.3278		2.1138	2.1138	1.4767	1.4767	2.2221	2.2221	2.2221	2.2221
H3	1.0920	2.1138		1.8634	3.1565	3.5864	3.5974	3.5974	4.2111	4.2111
H4	1.0920	2.1138	1.8634		3.5864	3.1565	4.2111	4.2111	3.5974	3.5974
C5	2.6977	1.4767	3.1565	3.5864		1.5553	1.0926	1.0926	2.2791	2.2791
C6	2.6977	1.4767	3.5864	3.1565	1.5553		2.2791	2.2791	1.0926	1.0926
H7	3.2942	2.2221	3.5974	4.2111	1.0926	2.2791		1.8339	3.1588	2.5720
H8	3.2942	2.2221	3.5974	4.2111	1.0926	2.2791	1.8339		2.5720	3.1588
H9	3.2942	2.2221	4.2111	3.5974	2.2791	1.0926	3.1588	2.5720		1.8339
H10	3.2942	2.2221	4.2111	3.5974	2.2791	1.0926	2.5720	3.1588	1.8339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.223	C1	C2	C6	148.223
C2	C1	H3	121.440	C2	C1	H4	121.440
C2	C5	C6	58.223	C2	C5	H7	118.971
C2	C5	H8	118.971	C2	C6	C5	58.223
C2	C6	H9	118.971	C2	C6	H10	118.971
H3	C1	H4	117.121	C5	C2	C6	63.554
C5	C6	H9	117.725	C5	C6	H10	117.725
C6	C5	H7	117.725	C6	C5	H8	117.725
H7	C5	H8	114.114	H9	C6	H10	114.114

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: BLYP/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.208
2	C	-0.045
3	H	0.095
4	H	0.095
5	C	-0.213
6	C	-0.213
7	H	0.122
8	H	0.122
9	H	0.122
10	H	0.122

<r²>	78.063
(<r²>)^1/2	8.835

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)